3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(2-oxidanylnaphthalen-1-yl)-phenyl-methyl]propanamide

Systemtic Name: 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(2-oxidanylnaphthalen-1-yl)-phenyl-methyl]propanamide Openeye Name: N-[(2-hydroxy-1-naphthyl)-phenyl-methyl]-3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: N-[(2-hydroxy-1-naphthalenyl)-phenylmethyl]-3-(4-nitro-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-[(2-hydroxy-1-naphthyl)-phenyl-methyl]propionamide Formula: C28H21N3O6 MolecularWeight: 495.48284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=C(C=CC3=CC=CC=C32)O)NC(=O)CCN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=C(C=CC3=CC=CC=C32)O)NC(=O)CCN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H21N3O6/c32-22-14-13-17-7-4-5-10-19(17)25(22)26(18-8-2-1-3-9-18)29-23(33)15-16-30-27(34)20-11-6-12-21(31(36)37)24(20)28(30)35/h1-14,26,32H,15-16H2,(H,29,33)